UCSF

ZINC44811331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.89 1.5 -9.75 1 5 0 65 239.319 6
Mid Mid (pH 6-8) 0.89 3.78 -45.42 2 5 1 67 240.327 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )